Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 2 subunit alpha' and Ligand = 'BDBM50492342'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium channel protein type 2 subunit alpha (Rattus norvegicus)	BDBM50492342 (CHEMBL2402972) Show SMILES [H][C@]1(N)CSSC[C@]2([H])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCC)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r| Show InChI InChI=1S/C70H105N27O22S6/c1-2-3-14-97-21-52(102)83-39(15-32-19-81-36-9-5-4-8-34(32)36)58(109)95-48-28-122-120-25-35(71)55(106)93-47-27-124-125-30-50(67(118)92-46(54(73)105)26-121-123-29-49(96-60(111)41(17-51(72)101)87-65(47)116)66(117)90-44(23-99)63(114)91-45(24-100)68(97)119)94-57(108)38(11-7-13-80-70(76)77)84-62(113)43(22-98)89-59(110)40(16-33-20-78-31-82-33)86-61(112)42(18-53(103)104)88-56(107)37(85-64(48)115)10-6-12-79-69(74)75/h4-5,8-9,19-20,31,35,37-50,81,98-100H,2-3,6-7,10-18,21-30,71H2,1H3,(H2,72,101)(H2,73,105)(H,78,82)(H,83,102)(H,84,113)(H,85,115)(H,86,112)(H,87,116)(H,88,107)(H,89,110)(H,90,117)(H,91,114)(H,92,118)(H,93,106)(H,94,108)(H,95,109)(H,96,111)(H,103,104)(H4,74,75,79)(H4,76,77,80)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
University of Gdansk Curated by ChEMBL					Assay Description Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes				Eur J Med Chem 65: 144-50 (2013) Article DOI: 10.1016/j.ejmech.2013.04.041 BindingDB Entry DOI: 10.7270/Q23B632D
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